4-[2-[2-(4-chloranylphenoxy)phenoxy]ethylcarbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[2-[2-(4-chloranylphenoxy)phenoxy]ethylcarbamothioylsulfanyl]butanoic acid Openeye Name: 4-[2-[2-(4-chlorophenoxy)phenoxy]ethylcarbamothioylsulfanyl]butanoic acid CAS Name: 4-[[[2-[2-(4-chlorophenoxy)phenoxy]ethylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[2-[2-(4-chlorophenoxy)phenoxy]ethylcarbamothioylsulfanyl]butanoic acid Traditional Name: 4-[2-[2-(4-chlorophenoxy)phenoxy]ethylthiocarbamoylthio]butyric acid Formula: C19H20ClNO4S2 MolecularWeight: 425.9494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCNC(=S)SCCCC(=O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OCCNC(=S)SCCCC(=O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO4S2/c20-14-7-9-15(10-8-14)25-17-5-2-1-4-16(17)24-12-11-21-19(26)27-13-3-6-18(22)23/h1-2,4-5,7-10H,3,6,11-13H2,(H,21,26)(H,22,23)